Refinement of the Pt(111)+c(4x2)-2CO structure using automatedtensor LEED
The structure of Pt(111)+c(4x2)-2CO has been refined usingthe powerful capabilities of automated tensor LEED, in particular todetermine hitherto unexplored adsorbate-induced relaxations in thesubstrate. The refinement considerably improves the fit to experimentobtained in a previous structural analysis performed with low-energyelectron diffraction (LEED). This study confirms that CO occupies bothtop and bridge sites. It finds a buckling of the outermost Pt layer, suchthat the Pt atoms bonded to CO molecules are raised out of the surface by0.06(plus/minus)0.04 Angstrom relative to the Pt atoms which do not bondto CO. The raised atoms have a spacing of 2.28(plus/minus)0.04 Angstromto the next Pt layer, expanded from the bulk spacing of 2.2655 Angstrom,while the depressed Pt atoms have a reduced spacing of2.22(plus/minus)0.04 Angstrom to the next Pt layer. The second Pt layeritself shows minor buckling of 0.03(plus/minus)0.04 Angstrom. No lateralrelaxations in the substrate are detected within 0.1 Angstrom. The COmolecules are perpendicular to the surface, with bond lengths of1.12(plus/minus)0.04 Angstrom and 1.19(plus/minus)0.04 Angstrom in topand bridge sites, respectively. The C-Pd spacings, measured betweenbonding atoms, are 1.92(plus/minus)0.04 Angstrom and 1.4(plus/minus)0.04Angstrom in top and bridge sites, respectively.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Director, Office of Science. Office of Basic EnergySciences. Division of Materials Sciences
- DOE Contract Number:
- DE-AC02-05CH11231
- OSTI ID:
- 894397
- Report Number(s):
- LBNL-44369; R&D Project: 517801
- Journal Information:
- Surface Review and Letters, Vol. 7, Issue 1-2; Related Information: Journal Publication Date: Feb.-Apr.2000
- Country of Publication:
- United States
- Language:
- English
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